SCHEMBL10045834

SCHEMBL10045834

C[C@]12CCC(=O)C=C1C=CC1C2[C@@H](F)C[C@@]2(C)C1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 13/20 0.50
NR3C1 P04150 3/20 0.50
CHRM2 P08172 2/20 0.50
CYP3A4 P08684 2/20 0.50
OPRK1 P41145 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
AR P10275 11/20 0.49
LMNA P02545 2/20 0.49
ABCC4 O15439 1/20 0.49
ABCB11 O95342 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2B P41595 1/20 0.49
CYP19A1 P11511 2/20 0.41
ALDH1A1 P00352 1/20 0.37
CYP2C19 P33261 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
TDP1 Q9NUW8 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10045956 0.89 PGR (0.50) PGRNR3C1CHRM2CYP3A4OPRK1
SCHEMBL12539721 0.84 PGR (0.46) PGRNR3C1CHRM2CYP3A4OPRK1
SCHEMBL12558657 0.83 PGR (0.66) PGRNR3C1CHRM2CYP3A4OPRK1
SCHEMBL11029881 0.83 PGR (0.66) PGRNR3C1CHRM2CYP3A4OPRK1
SCHEMBL13936413 0.83 PGR (0.66) PGRNR3C1CHRM2CYP3A4OPRK1
SCHEMBL14256380 0.83 PGR (0.66) PGRNR3C1CHRM2CYP3A4OPRK1
SCHEMBL14256415 0.83 PGR (0.66) PGRNR3C1CHRM2CYP3A4OPRK1
SCHEMBL10355878 0.78 PGR (0.55) PGRNR3C1CHRM2CYP3A4OPRK1
SCHEMBL13342048 0.78 PGR (0.55) PGRNR3C1CHRM2CYP3A4OPRK1
SCHEMBL10045931 0.77 PGR (0.72) PGRNR3C1CHRM2CYP3A4KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297177-B1 C-RING-SUBSTITUTED PREGN-4-ENE-21,17-CARBOLACTONE, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE LATTER Bayer Pharma AG (DE) 2012-06-20 EP disclosed
US-20110130371-A1 C-ring-substituted pregn-4-ene-21,17-carbolactones, and pharmaceutical preparations comprising the same BAYER SCHERING PHARMA AKTIENGESSELSCHAFT (DE) 2011-06-02 US disclosed
US-20110130371-A1 C-ring-substituted pregn-4-ene-21,17-carbolactones, and pharmaceutical preparations comprising the same BAYER SCHERING PHARMA AKTIENGESSELSCHAFT (DE) 2011-06-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110130371-A1 C-ring-substituted pregn-4-ene-21,17-carbolactones, and pharmaceutical preparations comprising the same NR5A1, NR3C2, HSD17B11 PGR 44/4885NR3C1 16/4885CHRM2 565/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.